4-azanyl-2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-fluorobenzothiophene-2-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4-fluorobenzothiophene-2-carbonyl)amino]-4-keto-butyric acid Formula: C13H11FN2O4S MolecularWeight: 310.300843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NC(CC(=O)N)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NC(CC(=O)N)C(=O)O)F

InChI

InChI=1S/C13H11FN2O4S/c14-7-2-1-3-9-6(7)4-10(21-9)12(18)16-8(13(19)20)5-11(15)17/h1-4,8H,5H2,(H2,15,17)(H,16,18)(H,19,20)